SCHEMBL9714768

SCHEMBL9714768

C(=C/c1cccc(OCc2nnn[nH]2)c1)\c1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 13/20 0.55
CYSLTR2 Q9NS75 10/20 0.55
GPBAR1 Q8TDU6 5/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9714773 1.00 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714845 0.96 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9828550 0.96 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714705 0.96 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9828557 0.96 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714840 0.96 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714714 0.96 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714700 0.92 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714693 0.92 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10546071 0.91 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed